1-(4-bromophenyl)-2-(1-phenyl-4H-pyridin-4-yl)ethanone

C19H16BrNO — CID 23271876

IUPAC1-(4-bromophenyl)-2-(1-phenyl-4H-pyridin-4-yl)ethanone
SMILESO=C(CC1C=CN(c2ccccc2)C=C1)c1ccc(Br)cc1
InChIInChI=1S/C19H16BrNO/c20-17-8-6-16(7-9-17)19(22)14-15-10-12-21(13-11-15)18-4-2-1-3-5-18/h1-13,15H,14H2
InChIKeyKFKLNFHEOZAMIJ-UHFFFAOYSA-N
MW354.25 g/mol
LogP5.19
Rot. Bonds4

About 1-(4-bromophenyl)-2-(1-phenyl-4H-pyridin-4-yl)ethanone

1-(4-bromophenyl)-2-(1-phenyl-4H-pyridin-4-yl)ethanone (PubChem CID 23271876) has the molecular formula C19H16BrNO and a molecular weight of 354.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(1-phenyl-4H-pyridin-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(1-phenyl-4H-pyridin-4-yl)ethanone
PubChem CID23271876
Molecular FormulaC19H16BrNO
Molecular Weight354.25 g/mol
Exact Mass353.04
IUPAC Name1-(4-bromophenyl)-2-(1-phenyl-4H-pyridin-4-yl)ethanone
SMILESO=C(CC1C=CN(c2ccccc2)C=C1)c1ccc(Br)cc1
InChIInChI=1S/C19H16BrNO/c20-17-8-6-16(7-9-17)19(22)14-15-10-12-21(13-11-15)18-4-2-1-3-5-18/h1-13,15H,14H2
InChIKeyKFKLNFHEOZAMIJ-UHFFFAOYSA-N
XLogP5.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.25
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(3S)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-3H-indol-2-one
CID 821679
1-(4-bromophenyl)-2-[6-[2-(4-bromophenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone
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2-[(2S,5R)-5-phenacyl-1-phenylpyrrolidin-2-yl]-1-phenylethanone
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1-(4-bromophenyl)-2-(N-hydroxyanilino)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(1-phenyl-4H-pyridin-4-yl)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(1-phenyl-4H-pyridin-4-yl)ethanone (CID 23271876) is 1-(4-bromophenyl)-2-(1-phenyl-4H-pyridin-4-yl)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(1-phenyl-4H-pyridin-4-yl)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(1-phenyl-4H-pyridin-4-yl)ethanone is O=C(CC1C=CN(c2ccccc2)C=C1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(1-phenyl-4H-pyridin-4-yl)ethanone?
The InChIKey is KFKLNFHEOZAMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO/c20-17-8-6-16(7-9-17)19(22)14-15-10-12-21(13-11-15)18-4-2-1-3-5-18/h1-13,15H,14H2.
What are the key properties of 1-(4-bromophenyl)-2-(1-phenyl-4H-pyridin-4-yl)ethanone?
1-(4-bromophenyl)-2-(1-phenyl-4H-pyridin-4-yl)ethanone has a molecular weight of 354.25 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(1-phenyl-4H-pyridin-4-yl)ethanone is sourced from PubChem (CID 23271876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).